============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 52.168 40.604 -23.718 -99.200 -91.000 PHE 29 1.000 53.646 37.491 -18.412 -99.200 -91.000 TYR 32 0.840 53.330 45.316 -21.549 -99.200 -91.000 TRP 33 1.040 51.351 46.941 -13.122 -99.200 -91.000 TRP6 33 1.020 50.409 47.032 -10.957 -99.200 -91.000 TRP 36 1.040 44.033 35.667 -13.693 -99.200 -91.000 TRP6 36 1.020 43.608 34.019 -15.301 -99.200 -91.000 TRP 47 1.040 40.044 44.125 -11.817 -99.200 -91.000 TRP6 47 1.020 40.818 44.551 -9.643 -99.200 -91.000 TYR 60 0.840 44.024 38.612 -4.693 -99.200 -91.000 PHE 68 1.000 38.416 33.646 -7.739 -99.200 -91.000 TYR 80 0.840 51.141 29.813 -13.503 -99.200 -91.000 TYR 94 0.840 36.723 32.283 -13.647 -99.200 -91.000 TYR 95 0.840 36.432 36.654 -20.856 -99.200 -91.000 PHE 101 1.000 49.749 50.786 -13.596 -99.200 -91.000 TYR 104 0.840 56.275 60.744 -17.123 -99.200 -91.000 HIS 106 0.900 47.505 62.209 -14.321 -99.200 -91.000 TYR 107 0.840 46.321 54.926 -21.648 -99.200 -91.000 TYR 111 0.840 46.864 43.642 -27.674 -99.200 -91.000 TRP 112 1.040 40.216 42.467 -22.696 -99.200 -91.000 TRP6 112 1.020 38.654 42.137 -20.951 -99.200 -91.000 PHE 131 1.000 19.622 13.532 -32.478 -99.200 -91.000 TYR 154 0.840 25.870 21.266 -25.183 -99.200 -91.000 PHE 155 1.000 26.428 20.185 -16.598 -99.200 -91.000 TRP 163 1.040 27.797 24.571 -40.201 -99.200 -91.000 TRP6 163 1.020 26.296 22.836 -40.787 -99.200 -91.000 HIS 173 0.900 22.962 33.727 -38.837 -99.200 -91.000 PHE 175 1.000 20.025 30.470 -34.317 -99.200 -91.000 TYR 185 0.840 24.020 24.497 -20.508 -99.200 -91.000 TYR 203 0.840 25.446 22.149 -48.162 -99.200 -91.000 HIS 209 0.900 30.621 18.361 -24.160 -99.200 -91.000